(6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone

C74H86BClN20O7 — CID 158164631

About (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone

(6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone (PubChem CID 158164631) has the molecular formula C74H86BClN20O7 and a molecular weight of 1413.90 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone.

Molecular Properties

• Compound Name: (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone
• PubChem CID: 158164631
• Molecular Formula: C74H86BClN20O7
• Molecular Weight: 1413.90 g/mol
• Exact Mass: 1412.68
• IUPAC Name: (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone
• SMILES: CC1=NCc2ncc(-c3cncc(C(=O)N4CCN(C)CC4)n3)cc21.CN1CCN(C(=O)c2cncc(Cl)n2)CC1.COc1ccc(Cn2nc(C)c3cc(-c4cncc(C(=O)N5CCN(C)CC5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1
• InChI: InChI=1S/C25H27N7O2.C21H26BN3O3.C18H20N6O.C10H13ClN4O/c1-17-21-12-19(13-27-24(21)32(29-17)16-18-4-6-20(34-3)7-5-18)22-14-26-15-23(28-22)25(33)31-10-8-30(2)9-11-31;1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;1-12-14-7-13(8-21-16(14)11-20-12)15-9-19-10-17(22-15)18(25)24-5-3-23(2)4-6-24;1-14-2-4-15(5-3-14)10(16)8-6-12-7-9(11)13-8/h4-7,12-15H,8-11,16H2,1-3H3;7-12H,13H2,1-6H3;7-10H,3-6,11H2,1-2H3;6-7H,2-5H2,1H3
• InChIKey: FWRQAZMYULPQEX-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 271.58 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.90
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone?

The IUPAC name of (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone (CID 158164631) is (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone.

What is the SMILES notation for (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone?

The canonical SMILES for (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone is CC1=NCc2ncc(-c3cncc(C(=O)N4CCN(C)CC4)n3)cc21.CN1CCN(C(=O)c2cncc(Cl)n2)CC1.COc1ccc(Cn2nc(C)c3cc(-c4cncc(C(=O)N5CCN(C)CC5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.

What is the InChIKey of (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone?

The InChIKey is FWRQAZMYULPQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C21H26BN3O3.C18H20N6O.C10H13ClN4O/c1-17-21-12-19(13-27-24(21)32(29-17)16-18-4-6-20(34-3)7-5-18)22-14-26-15-23(28-22)25(33)31-10-8-30(2)9-11-31;1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;1-12-14-7-13(8-21-16(14)11-20-12)15-9-19-10-17(22-15)18(25)24-5-3-23(2)4-6-24;1-14-2-4-15(5-3-14)10(16)8-6-12-7-9(11)13-8/h4-7,12-15H,8-11,16H2,1-3H3;7-12H,13H2,1-6H3;7-10H,3-6,11H2,1-2H3;6-7H,2-5H2,1H3.

What are the key properties of (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone?

(6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone has a molecular weight of 1413.90 g/mol, XLogP of 7.50, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone;[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;(4-methylpiperazin-1-yl)-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 158164631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).